N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]adamantane-1-carboxamide

Systemtic Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]adamantane-1-carboxamide Openeye Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]adamantane-1-carboxamide CAS Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-(4-morpholin-4-iumyl)ethyl]-1-adamantanecarboxamide IUPAC Name: N-[(2R)-2-(4-ethoxy-3-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]adamantane-1-carboxamide Traditional Name: N-[(2R)-2-(4-ethoxy-3-methoxy-phenyl)-2-morpholin-4-ium-4-yl-ethyl]adamantane-1-carboxamide Formula: C26H39N2O4+ MolecularWeight: 443.59886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCOCC5)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](CNC(=O)C23CC4CC(C2)CC(C4)C3)[NH+]5CCOCC5)OC

InChI

InChI=1S/C26H38N2O4/c1-3-32-23-5-4-21(13-24(23)30-2)22(28-6-8-31-9-7-28)17-27-25(29)26-14-18-10-19(15-26)12-20(11-18)16-26/h4-5,13,18-20,22H,3,6-12,14-17H2,1-2H3,(H,27,29)/p+1/t18?,19?,20?,22-,26?/m0/s1